N'-(2,3-dichloroprop-2-enyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine

C11H22Cl2N2 — CID 79662162

IUPACN'-(2,3-dichloroprop-2-enyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(CC(Cl)=CCl)CC(C)(C)CN
InChIInChI=1S/C11H22Cl2N2/c1-4-5-15(7-10(13)6-12)9-11(2,3)8-14/h6H,4-5,7-9,14H2,1-3H3
InChIKeyFLYZDEPAIPBJCA-UHFFFAOYSA-N
MW253.22 g/mol
LogP3.00
Rot. Bonds7

About N'-(2,3-dichloroprop-2-enyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine

N'-(2,3-dichloroprop-2-enyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine (PubChem CID 79662162) has the molecular formula C11H22Cl2N2 and a molecular weight of 253.22 g/mol. Its IUPAC name is N'-(2,3-dichloroprop-2-enyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2,3-dichloroprop-2-enyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
PubChem CID79662162
Molecular FormulaC11H22Cl2N2
Molecular Weight253.22 g/mol
Exact Mass252.12
IUPAC NameN'-(2,3-dichloroprop-2-enyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(CC(Cl)=CCl)CC(C)(C)CN
InChIInChI=1S/C11H22Cl2N2/c1-4-5-15(7-10(13)6-12)9-11(2,3)8-14/h6H,4-5,7-9,14H2,1-3H3
InChIKeyFLYZDEPAIPBJCA-UHFFFAOYSA-N
XLogP3.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dichloroprop-2-enyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-(2,3-dichloroprop-2-enyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine (CID 79662162) is N'-(2,3-dichloroprop-2-enyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-(2,3-dichloroprop-2-enyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-(2,3-dichloroprop-2-enyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine is CCCN(CC(Cl)=CCl)CC(C)(C)CN.
What is the InChIKey of N'-(2,3-dichloroprop-2-enyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The InChIKey is FLYZDEPAIPBJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22Cl2N2/c1-4-5-15(7-10(13)6-12)9-11(2,3)8-14/h6H,4-5,7-9,14H2,1-3H3.
What are the key properties of N'-(2,3-dichloroprop-2-enyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine?
N'-(2,3-dichloroprop-2-enyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine has a molecular weight of 253.22 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dichloroprop-2-enyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 79662162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).